Crystallography Open Database

Information card for entry 4506464

Preview

Coordinates	4506464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H78 Co2 N8 O9
Calculated formula	C86 H78 Co2 N8 O9
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	13.0956 ± 0.0015 Å
b	13.3473 ± 0.0015 Å
c	21.61 ± 0.002 Å
α	103.591 ± 0.002°
β	100.939 ± 0.002°
γ	91.078 ± 0.002°
Cell volume	3596.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179600 (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 4/50/64.	4506464.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506464.cif
66187	2012-09-09	cif/ Adding structures of 4506463, 4506464, 4506465, 4506466 via cif-deposit CGI script.	4506464.cif