Crystallography Open Database

Information card for entry 7703134

Preview

Coordinates	7703134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H56 Cl5 Cu5 N10 O2
Calculated formula	C77 H56 Cl5 Cu5 N10 O2
Title of publication	A systematic investigation of structural transformation in a copper pyrazolato system: a case study.
Authors of publication	Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1116 - 1123
a	16.2557 ± 0.0011 Å
b	17.0114 ± 0.0012 Å
c	17.9429 ± 0.0011 Å
α	72.065 ± 0.006°
β	68.528 ± 0.006°
γ	86.629 ± 0.006°
Cell volume	4384.9 ± 0.6 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.142
Residual factor for significantly intense reflections	0.0914
Weighted residual factors for significantly intense reflections	0.2115
Weighted residual factors for all reflections included in the refinement	0.243
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
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
247718 (current)	2020-02-04	cif/ Updating files of 7703129, 7703130, 7703131, 7703132, 7703133, 7703134, 7703135, 7703136, 7703137, 7703138 Original log message: Adding full bibliography for 7703129--7703138.cif.	7703134.cif
246459	2020-01-03	cif/ Adding structures of 7703129, 7703130, 7703131, 7703132, 7703133, 7703134, 7703135, 7703136, 7703137, 7703138 via cif-deposit CGI script.	7703134.cif