Crystallography Open Database

Information card for entry 7118465

Preview

Coordinates	7118465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H100 Cd2 N8 O13.63 V2
Calculated formula	C104 H100 Cd2 N8 O13.6285 V2
Title of publication	A homochiral vanadium-salen based cadmium bpdc MOF with permanent porosity as an asymmetric catalyst in solvent-free cyanosilylation.
Authors of publication	Bhunia, Asamanjoy; Dey, Subarna; Moreno, José María; Diaz, Urbano; Concepcion, Patricia; Van Hecke, Kristof; Janiak, Christoph; Van Der Voort, Pascal
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	7
Pages of publication	1401 - 1404
a	17.046 ± 0.0005 Å
b	24.0462 ± 0.0006 Å
c	28.8442 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	11823 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
174477 (current)	2016-01-15	cif/ Adding structures of 7118465 via cif-deposit CGI script.	7118465.cif