Crystallography Open Database

Information card for entry 7042913

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Coordinates	7042913.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) thiocyanate}
Formula	C30 H21 Cu2 N7 O4 S
Calculated formula	C30 H21 Cu2 N7 O4 S
Title of publication	Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.
Authors of publication	Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4806 - 4815
a	12.7346 ± 0.0009 Å
b	26.731 ± 0.002 Å
c	8.4383 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2872.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1394
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196245 (current)	2017-05-05	cif/ Adding structures of 7042911, 7042912, 7042913, 7042914, 7042915, 7042916 via cif-deposit CGI script.	7042913.cif