Crystallography Open Database

Information card for entry 4086704

Preview

Coordinates	4086704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H78 O8 P2 Rh2
Calculated formula	C44 H78 O8 P2 Rh2
SMILES	[Rh]1234([Rh]([P](C5CCCCC5)(C5CCCCC5)C5CCCCC5)([O]=C(O2)C)(OC(=[O]3)C)([O]=C(O1)C)OC(=[O]4)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Axial Tri-tert-butylphosphane Coordination to Rh2(OAc)4: Synthesis, Structure, and Catalytic Studies
Authors of publication	Tan, Jiantao; Kuang, Yi; Wang, Yi; Huang, Qingfei; Zhu, Jin; Wang, Yuanhua
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	18
Pages of publication	3139
a	11.3382 ± 0.0003 Å
b	14.2991 ± 0.0004 Å
c	16.3895 ± 0.0007 Å
α	68.778 ± 0.003°
β	79.737 ± 0.003°
γ	83.183 ± 0.002°
Cell volume	2433.08 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186935 (current)	2016-10-05	cif/ Adding structures of 4086703, 4086704 via cif-deposit CGI script.	4086704.cif