Crystallography Open Database

Information card for entry 4507633

Preview

Coordinates	4507633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Cd N4 O7
Calculated formula	C41 H34 Cd N4 O7
Title of publication	Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand
Authors of publication	Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1961
a	29.814 ± 0.002 Å
b	13.0074 ± 0.0009 Å
c	19.1298 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7418.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	4507633.cif
85599	2013-05-07	cif/ Adding structures of 4507633, 4507634, 4507635, 4507636, 4507637, 4507638 via cif-deposit CGI script.	4507633.cif