Crystallography Open Database

Information card for entry 7114844

Preview

Coordinates	7114844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H41 B7 Re2
Calculated formula	C20 H37 B7 Re2
SMILES	[Re]123456789([Re]%10%11%12%13%14%15%16%17([c]%18([c]%10([c]%11([c]%12([c]%13%18C)C)C)C)C)[BH]%10[BH]5[BH]7%15%10[BH]9%17[BH]58%16[BH]6[BH]%145)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Metallaboranes of the earlier transition metals. An arachno nine-vertex, nine-skeletal electron pair rhenaborane of novel shape: importance of total vertex connectivities in such systems
Authors of publication	Ghosh, Sundargopal; Rheingold, Arnold L.; Fehlner, Thomas P.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	10
Pages of publication	895
a	8.7967 ± 0.0002 Å
b	17.7865 ± 0.0003 Å
c	18.0509 ± 0.0004 Å
α	111.564 ± 0.001°
β	102.924 ± 0.002°
γ	99.411 ± 0.001°
Cell volume	2464.22 ± 0.1 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	0.0627
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
180262 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/48.	7114844.cif
118370	2014-06-30	cif/ Adding structures of 7114844 via cif-deposit CGI script.	7114844.cif