Crystallography Open Database

Information card for entry 4506465

Preview

Coordinates	4506465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H30 N4 Ni O5
Calculated formula	C41 H30 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	17.7338 ± 0.0019 Å
b	9.9058 ± 0.001 Å
c	22.944 ± 0.003 Å
α	90°
β	91.794 ± 0.002°
γ	90°
Cell volume	4028.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1059
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	4506465.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506465.cif
66187	2012-09-09	cif/ Adding structures of 4506463, 4506464, 4506465, 4506466 via cif-deposit CGI script.	4506465.cif