Crystallography Open Database

Information card for entry 4088212

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Coordinates	4088212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43 Cl2 O P2 Re
Calculated formula	C27 H43 Cl2 O P2 Re
Title of publication	Complexes of High-Valent Rhenium Supported by the PCP Pincer
Authors of publication	Kosanovich, Alex J.; Reibenspies, Joseph H.; Ozerov, Oleg V.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	513
a	7.9196 ± 0.001 Å
b	14.426 ± 0.002 Å
c	25.637 ± 0.004 Å
α	90°
β	93.516 ± 0.007°
γ	90°
Cell volume	2923.5 ± 0.7 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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