Crystallography Open Database

Information card for entry 4087715

Preview

Coordinates	4087715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H50 B Co N P2
Calculated formula	C43 H50 B Co N P2
SMILES	[Co]123([P](C(C)C)(C(C)C)c4ccccc4[B](c4ccccc4)(c4c([P]1(C(C)C)C(C)C)cccc4)[H]3)[n]1c3c4c(cccc24)ccc3ccc1
Title of publication	E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes
Authors of publication	Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	19
Pages of publication	4741
a	19.5888 ± 0.0009 Å
b	11.1243 ± 0.0007 Å
c	16.8762 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3677.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1362
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
236937 (current)	2019-11-24	cif/ Adding structures of 4087708, 4087709, 4087710, 4087711, 4087712, 4087713, 4087714, 4087715, 4087716 via cif-deposit CGI script.	4087715.cif