Crystallography Open Database

Information card for entry 7122237

Preview

Coordinates	7122237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 Ir4 S4
Calculated formula	C52 H68 Ir4 S4
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	10.7515 ± 0.0005 Å
b	15.4939 ± 0.0007 Å
c	16.0369 ± 0.0007 Å
α	79.6888 ± 0.0014°
β	77.901 ± 0.0014°
γ	87.8163 ± 0.0014°
Cell volume	2569.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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