Crystallography Open Database

Information card for entry 5000299

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

Structure parameters

Formula	C30 H60 Cl2 N O P2 Re Si2
Calculated formula	C30 H60 Cl2 N O P2 Re Si2
SMILES	[Re]1(Cl)(Cl)([P](C[Si](O[Si](C)(C)C[P]1(C1CCCCC1)C1CCCCC1)(C)C)(C1CCCCC1)C1CCCCC1)#N
Title of publication	Double Silyl Migration Converting ORe[N(SiMe2CH2PCy2)2] to NRe[O(SiMe2CH2PCy2)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
Pages of publication	5615 - 5625
a	11.2394 ± 0.0003 Å
b	13.2263 ± 0.0003 Å
c	24.2823 ± 0.0006 Å
α	90°
β	100.653°
γ	90°
Cell volume	3547.49 ± 0.15 Å³
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.016
Weighted residual factors for all reflections included in the refinement	0.0189
Goodness-of-fit parameter for all reflections included in the refinement	0.4336
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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