Crystallography Open Database

Information card for entry 7216479

Preview

Coordinates	7216479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H63 Cu6 N11 O17
Calculated formula	C68 H63 Cu6 N11 O17
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	22.533 ± 0.004 Å
b	23.066 ± 0.005 Å
c	14.201 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7381 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
180495 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64.	7216479.cif
126381	2014-11-06	cif/ Updating files of 7216478, 7216479, 7216480, 7216481, 7216482 Original log message: Adding full bibliography for 7216478--7216482.cif.	7216479.cif
116346	2014-06-10	cif/ Adding structures of 7216478, 7216479, 7216480, 7216481, 7216482 via cif-deposit CGI script.	7216479.cif