Crystallography Open Database

Information card for entry 4506501

Preview

Coordinates	4506501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 Cd N4 O5
Calculated formula	C45 H30 Cd N4 O5
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	10.121 ± 0.0005 Å
b	12.14 ± 0.0005 Å
c	15.963 ± 0.0007 Å
α	91.406 ± 0.003°
β	103.997 ± 0.004°
γ	109.971 ± 0.004°
Cell volume	1776.29 ± 0.15 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	0.0587
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179601 (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 4/50/65.	4506501.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506501.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.	4506501.cif