Crystallography Open Database

Information card for entry 4506138

Preview

Coordinates	4506138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H30 N4 O14 Zn2
Calculated formula	C41 H30 N4 O14 Zn2
Title of publication	Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids
Authors of publication	Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3426
a	10.7263 ± 0.0016 Å
b	9.0056 ± 0.0013 Å
c	12.9899 ± 0.0019 Å
α	90°
β	104.047 ± 0.003°
γ	90°
Cell volume	1217.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4506138.cif
113357	2014-05-11	cif/ Updating files of 4506137, 4506138, 4506139, 4506140 Original log message: Adding full bibliography for 4506137--4506140.cif.	4506138.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506138.cif
62144	2012-07-07	cif/ Adding structures of 4506137, 4506138, 4506139, 4506140 via cif-deposit CGI script.	4506138.cif