Crystallography Open Database

Information card for entry 7226541

Preview

Coordinates	7226541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 Cu2 N4 O
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	18.2348 ± 0.0006 Å
b	18.2348 ± 0.0006 Å
c	16.395 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	4721.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
188095 (current)	2016-11-08	cif/ Updating files of 7226540, 7226541 Original log message: Adding full bibliography for 7226540--7226541.cif.	7226541.cif
186551	2016-09-14	cif/ Adding structures of 7226540, 7226541 via cif-deposit CGI script.	7226541.cif