Crystallography Open Database

Information card for entry 8105090

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Coordinates	8105090.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>fac</i>-bis(hexacarbonyl-<i>μ</i>~2~-methoxy)(<i>μ</i>~2~- bis(di-<i>p</i>-tolylphosphino) cyclohexylamine)dirhenium(I)
Formula	C42 H45 N O8 P2 Re2
Calculated formula	C42 H45 N O8 P2 Re2
Title of publication	Crystal structure of hexacarbonyl-(μ2-methanoato-k2 O:O′)-(μ2–bis(di-p-tolylphosphino)cyclohexylamine-κ2 P:P′)dirhenium(I), C42H45NO8P2Re2
Authors of publication	Kama, Dumisani V.; Brink, Alice; Alberto, Roger; Roodt, Andreas
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	303 - 305
a	24.1612 ± 0.0007 Å
b	13.0229 ± 0.0003 Å
c	14.918 ± 0.0004 Å
α	90°
β	121.383 ± 0.003°
γ	90°
Cell volume	4007.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
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	0.0291
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
274780 (current)	2022-05-02	cif/ Adding structures of 8105090 via cif-deposit CGI script.	8105090.cif