Crystallography Open Database

Information card for entry 4346106

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Structure parameters

Formula	C41 H90 O P4 Rh2 S3
Calculated formula	C41 H90 O P4 Rh2 S3
SMILES	[Rh]12([S]3[Rh]4([S]1C3=S)[P](CC[P]4(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.O(CC)CC
Title of publication	Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.
Authors of publication	Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	7
Pages of publication	3670 - 3679
a	11.2078 ± 0.0019 Å
b	20.257 ± 0.003 Å
c	22.118 ± 0.004 Å
α	90°
β	95.349 ± 0.002°
γ	90°
Cell volume	4999.7 ± 1.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 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	0.1018
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4346106.cif
231619	2019-11-23	cif/ Adding structures of 4346105, 4346106, 4346107, 4346108 via cif-deposit CGI script.	4346106.cif