Crystallography Open Database

Information card for entry 4514414

Preview

Coordinates	4514414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 Br2 Co N3
Calculated formula	C15 H27 Br2 Co N3
SMILES	Br[Co]12(Br)[n]3c(cccc3C[NH]1C(C)(C)C)C[NH]2C(C)(C)C
Title of publication	Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes
Authors of publication	Pattanaik, Sandip; Gunanathan, Chidambaram
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	6
Pages of publication	5552
a	10.8842 ± 0.0004 Å
b	11.4192 ± 0.0004 Å
c	15.8101 ± 0.0006 Å
α	90°
β	104.557 ± 0.003°
γ	90°
Cell volume	1901.94 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
223177 (current)	2019-11-04	cif/ Updating files of 4514414 Original log message: Adding full bibliography for 4514414.cif.	4514414.cif
215309	2019-05-21	cif/ Adding structures of 4514414 via cif-deposit CGI script.	4514414.cif