Crystallography Open Database

Information card for entry 4519157

4519156 << 4519157 >> 4519158

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Coordinates	4519157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H73 B10 N
Calculated formula	C54 H73 B10 N
Title of publication	Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes
Authors of publication	Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	14047 - 14057
a	12.427 ± 0.012 Å
b	37.88 ± 0.04 Å
c	13.129 ± 0.013 Å
α	90°
β	103.168 ± 0.019°
γ	90°
Cell volume	6018 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.261
Weighted residual factors for all reflections included in the refinement	0.32
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271026 (current)	2021-12-03	cif/ Adding structures of 4519145, 4519146, 4519147, 4519148, 4519149, 4519150, 4519151, 4519152, 4519153, 4519154, 4519155, 4519156, 4519157, 4519158, 4519159, 4519160 via cif-deposit CGI script.	4519157.cif