Crystallography Open Database

Information card for entry 4508181

Preview

Coordinates	4508181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Cu3 N18 O22
Calculated formula	C42 H30 Cu3 N18 O22
Title of publication	A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties
Authors of publication	Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4338
a	11.192 ± 0.0006 Å
b	12.401 ± 0.0008 Å
c	12.566 ± 0.0007 Å
α	64.424 ± 0.006°
β	75.586 ± 0.005°
γ	80.446 ± 0.005°
Cell volume	1520.22 ± 0.17 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	0.0753
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4508181.cif
88895	2013-10-09	cif/ Adding structures of 4508177, 4508178, 4508179, 4508180, 4508181, 4508182, 4508183, 4508184, 4508185, 4508186 via cif-deposit CGI script.	4508181.cif