Crystallography Open Database

Information card for entry 4501611

Preview

Coordinates	4501611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Cd2 N5 O13
Calculated formula	C44 H38 Cd2 N5 O13
Title of publication	Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids
Authors of publication	Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2676
a	14.5739 ± 0.0011 Å
b	20.8969 ± 0.0015 Å
c	32.497 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9896.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
179547 (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 4/50/16.	4501611.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501611.cif
35988	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501606, 4501607, 4501608, 4501609, 4501610, 4501611 via cif-deposit CGI script.	4501611.cif