Crystallography Open Database

Information card for entry 7122229

Preview

Coordinates	7122229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H57 B Rh2 S2
Calculated formula	C52 H57 B Rh2 S2
Title of publication	Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.
Authors of publication	Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	79
Pages of publication	11112 - 11115
a	10.9219 ± 0.0005 Å
b	13.2492 ± 0.0006 Å
c	17.0937 ± 0.0008 Å
α	106.757 ± 0.0014°
β	95.401 ± 0.0015°
γ	108.677 ± 0.0013°
Cell volume	2195.9 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0319
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
228222 (current)	2019-11-17	cif/ Updating files of 7122227, 7122228, 7122229, 7122230, 7122231, 7122232, 7122233, 7122234, 7122235, 7122236, 7122237 Original log message: Adding full bibliography for 7122227--7122237.cif.	7122229.cif
210098	2018-08-24	cif/ Adding structures of 7122227, 7122228, 7122229, 7122230, 7122231, 7122232, 7122233, 7122234, 7122235, 7122236, 7122237 via cif-deposit CGI script.	7122229.cif