Crystallography Open Database

Information card for entry 4085555

Preview

Coordinates	4085555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H74 Co N4
Calculated formula	C51 H74 Co N4
SMILES	C1(=[Co](Nc2c(C(C)C)cccc2C(C)C)Nc2c(cccc2C(C)C)C(C)C)N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene
Authors of publication	Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2429
a	21.5764 ± 0.001 Å
b	9.3773 ± 0.0004 Å
c	24.8166 ± 0.0015 Å
α	90°
β	112.572 ± 0.001°
γ	90°
Cell volume	4636.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085555.cif
140226	2015-07-05	cif/ Updating files of 4085549, 4085550, 4085551, 4085552, 4085553, 4085554, 4085555, 4085556, 4085557 Original log message: Adding full bibliography for 4085549--4085557.cif.	4085555.cif
132396	2015-02-25	cif/ Adding structures of 4085549, 4085550, 4085551, 4085552, 4085553, 4085554, 4085555, 4085556, 4085557 via cif-deposit CGI script.	4085555.cif