Crystallography Open Database

Information card for entry 5000300

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 Br2 N O P2 Re Si2
Calculated formula	C36 H66 Br2 N O P2 Re Si2
SMILES	[Re]1(Br)(Br)(#N)[P](C[Si](O[Si](C)(C)C[P]1(C1CCCCC1)C1CCCCC1)(C)C)(C1CCCCC1)C1CCCCC1.c1ccccc1
Title of publication	Double Silyl Migration Converting ORe[N(SiMe~2~CH~2~PCy~2~)~2~] to NRe[O(SiMe~2~CH~2~PCy~2~)~2~] Substructures
Authors of publication	Oleg V. Ozerov; Hélène F. Gerard; Lori A. Watson; John C. Huffman; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Journal issue	21
Pages of publication	5615 - 5625
a	14.5784 ± 0.0004 Å
b	13.3305 ± 0.0004 Å
c	22.5751 ± 0.0007 Å
α	90°
β	107.477°
γ	90°
Cell volume	4184.7 ± 0.2 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for all reflections included in the refinement	0.021
Goodness-of-fit parameter for all reflections included in the refinement	0.5278
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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