Crystallography Open Database

Information card for entry 4502878

Preview

Coordinates	4502878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H43 N7 O7 Zn
Calculated formula	C37 H22 N7 O7 Zn
Title of publication	Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids
Authors of publication	Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	253
a	12.6318 ± 0.0008 Å
b	12.8249 ± 0.0008 Å
c	13.5305 ± 0.0008 Å
α	79.972 ± 0.001°
β	70.958 ± 0.001°
γ	70.014 ± 0.001°
Cell volume	1942.4 ± 0.2 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2134
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201370 (current)	2017-09-27	cif/ Removing the _symmetry_INT_tables_number data item with malformed values in entries 1518641, 4025490, 4067724, 4074205, 4074207, 4074208, 4104897, 4104898, 4104899, 4316344, 4316345, 4316346, 4317005, 4502875, 4502876, 4502877, 4502878, 4502879, 4502880, 4502881, 4502882, 4502883, 7014502, 7014503, 7014504, 7014505, 7014506, 7021473, 7021474, 7023369, 7023370, 7023371, 7023372, 7023373, 7023374, 7027947, 7030233, 7030234, 7030235, 7030236, 7030237, 7030238, 7105782, 7106232, 7106233, 7106234, 7106235, 7112984, 7201013, 7204257, 7204606, 7205024, 7205025, 7205026, 7205027, 7205028, 7205029, 7205030, 7207975, 7207976, 7207977, 7207978, 7218857, 7219704. The correct value for this data item is retained in the _space_group_IT_number data item.	4502878.cif
198632	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	4502878.cif
179559	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/28.	4502878.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502878.cif
37779	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502875, 4502876, 4502877, 4502878, 4502879, 4502880, 4502881, 4502882, 4502883 via cif-deposit CGI script.	4502878.cif