Crystallography Open Database

Information card for entry 7216482

Preview

Coordinates	7216482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H51.5 Cu3 N10.5 O11.5
Calculated formula	C41.5 H51.5 Cu3 N10.5 O11.5
Title of publication	Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents
Authors of publication	Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	42
Pages of publication	9792
a	41.72 ± 0.003 Å
b	8.6534 ± 0.0005 Å
c	28.881 ± 0.002 Å
α	90°
β	120.329 ± 0.005°
γ	90°
Cell volume	8999.6 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216482.cif
126381	2014-11-06	cif/ Updating files of 7216478, 7216479, 7216480, 7216481, 7216482 Original log message: Adding full bibliography for 7216478--7216482.cif.	7216482.cif
116346	2014-06-10	cif/ Adding structures of 7216478, 7216479, 7216480, 7216481, 7216482 via cif-deposit CGI script.	7216482.cif