Crystallography Open Database

Information card for entry 7702638

Preview

Coordinates	7702638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H48 Br4 Cl2 Cu F6 Mo3 P7 Se4
Calculated formula	C19 H48 Br4 Cl2 Cu F6 Mo3 P7 Se4
Title of publication	Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†
Authors of publication	Llusar, Rosa; Uriel, Santiago; Vicent, Cristian
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	19
Pages of publication	2813
a	12.799 ± 0.0005 Å
b	23.8115 ± 0.0009 Å
c	16.5128 ± 0.0006 Å
α	90°
β	90.781 ± 0.001°
γ	90°
Cell volume	5032 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
243931 (current)	2019-11-28	cif/ Adding structures of 7702635, 7702636, 7702637, 7702638 via cif-deposit CGI script.	7702638.cif