Crystallography Open Database

Information card for entry 7226540

Preview

Coordinates	7226540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Cu2 N4
Calculated formula	C30 H20 Cu2 N4
Title of publication	Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units
Authors of publication	Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7883
a	18.0922 ± 0.0015 Å
b	28.182 ± 0.002 Å
c	16.7188 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8524.5 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.2443
Residual factor for significantly intense reflections	0.1496
Weighted residual factors for significantly intense reflections	0.2879
Weighted residual factors for all reflections included in the refinement	0.3181
Goodness-of-fit parameter for all reflections included in the refinement	1.426
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
188095 (current)	2016-11-08	cif/ Updating files of 7226540, 7226541 Original log message: Adding full bibliography for 7226540--7226541.cif.	7226540.cif
186551	2016-09-14	cif/ Adding structures of 7226540, 7226541 via cif-deposit CGI script.	7226540.cif