Crystallography Open Database

Information card for entry 4502016

4502015 << 4502016 >> 4502017

Preview

Coordinates	4502016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N2 Ni2 O13
Calculated formula	C28 H24 N2 Ni2 O13
Title of publication	Syntheses, Characterizations, and Properties of Six Metal−Organic Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic Acid
Authors of publication	Qin, Ling; Hu, Jin-Song; Huang, Liang-Fang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	4176
a	35.192 ± 0.003 Å
b	13.1317 ± 0.0013 Å
c	13.3261 ± 0.0013 Å
α	90°
β	110.793 ± 0.002°
γ	90°
Cell volume	5757.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179551 (current)	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 4/50/20.	4502016.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502016.cif
36204	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502015, 4502016, 4502017, 4502018, 4502019, 4502020 via cif-deposit CGI script.	4502016.cif