Crystallography Open Database

Information card for entry 4506466

Preview

Coordinates	4506466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 N4 Ni O5
Calculated formula	C41 H36 N4 Ni O5
Title of publication	Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand
Authors of publication	Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	3957
a	17.005 ± 0.002 Å
b	10.593 ± 0.0013 Å
c	24.0013 ± 0.0019 Å
α	90°
β	91.215 ± 0.003°
γ	90°
Cell volume	4322.5 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4506466.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506466.cif
66187	2012-09-09	cif/ Adding structures of 4506463, 4506464, 4506465, 4506466 via cif-deposit CGI script.	4506466.cif