Crystallography Open Database

Information card for entry 7707761

Preview

Coordinates	7707761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H26 B9 N
Calculated formula	C9 H26 B9 N
SMILES	[NH+](C)(C)C.[C]1234[C]56(C(=CC1)C)[BH]17[BH]89[BH]%102[BH]2%119[BH]978[BH]761[BH]135[BH]4%102[BH]%11971
Title of publication	Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.
Authors of publication	Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	30
Pages of publication	10615 - 10620
a	14.5623 ± 0.0013 Å
b	14.7789 ± 0.0013 Å
c	14.875 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3201.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
268782 (current)	2021-09-06	cif/ Updating files of 7707759, 7707760, 7707761, 7707762, 7707763, 7707764 Original log message: Adding full bibliography for 7707759--7707764.cif.	7707761.cif
266798	2021-06-30	cif/ Adding structures of 7707759, 7707760, 7707761, 7707762, 7707763, 7707764 via cif-deposit CGI script.	7707761.cif