Crystallography Open Database

Information card for entry 4506495

Preview

Coordinates	4506495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 N4 Ni O6
Calculated formula	C31 H28 N4 Ni O6
Title of publication	Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands
Authors of publication	Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	4060
a	7.188 ± 0.004 Å
b	22.296 ± 0.0012 Å
c	17.693 ± 0.0013 Å
α	90°
β	99.137 ± 0.006°
γ	90°
Cell volume	2799.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4506495.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506495.cif
66194	2012-09-09	cif/ Adding structures of 4506490, 4506491, 4506492, 4506493, 4506494, 4506495, 4506496, 4506497, 4506498, 4506499, 4506500, 4506501, 4506502, 4506503 via cif-deposit CGI script.	4506495.cif