Crystallography Open Database

Information card for entry 7702368

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Coordinates	7702368.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper-selenide-nanocluster
Chemical name	The CIF file for the structure of 5
Formula	C204 H510 Cu140 P34 Se70
Calculated formula	C136 Cu140.02 P34 Se70
Title of publication	Novel Cu‒Se clusters with Se‒layer structures: [Cu32Se7(SenBu)18(PiPr3)6], [Cu50Se20(SetBu)10(PiPr3)10], [Cu73Se35(SePh)3(PiPr3)21], [Cu140Se70(PEt3)34] and [Cu140Se70(PEt3)36]
Authors of publication	Zhu, Nianyong; Fenske, Dieter
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	7
Pages of publication	1067
a	34.116 ± 0.007 Å
b	48.433 ± 0.01 Å
c	30.942 ± 0.006 Å
α	90°
β	110.47 ± 0.03°
γ	90°
Cell volume	47898 ± 19 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.281
Residual factor for significantly intense reflections	0.1093
Weighted residual factors for all reflections	0.3912
Weighted residual factors for significantly intense reflections	0.2692
Goodness-of-fit parameter for all reflections	1.385
Goodness-of-fit parameter for significantly intense reflections	1.903
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243841 (current)	2019-11-28	cif/ Adding structures of 7702365, 7702366, 7702367, 7702368, 7702369 via cif-deposit CGI script.	7702368.cif