Crystallography Open Database

Information card for entry 7232349

Preview

Coordinates	7232349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cu2 N12 O4
Calculated formula	C36 H24 Cu2 N12 O4
Title of publication	Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene
Authors of publication	Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	12
Pages of publication	1886
a	23.2726 ± 0.0012 Å
b	9.8774 ± 0.0004 Å
c	15.2044 ± 0.0007 Å
α	90°
β	112.301 ± 0.0015°
γ	90°
Cell volume	3233.6 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0286
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223731 (current)	2019-11-07	cif/ Updating files of 7232348, 7232349, 7232350 Original log message: Adding full bibliography for 7232348--7232350.cif.	7232349.cif
213629	2019-02-14	cif/ Adding structures of 7232348, 7232349, 7232350 via cif-deposit CGI script.	7232349.cif