Crystallography Open Database

Information card for entry 7708972

Preview

Coordinates	7708972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H72 Co K N4 O7 Si4
Calculated formula	C31 H72 Co K N4 O7 Si4
SMILES	[Co](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)C#[O].[K]1234567[O]8CC[N]96CC[O]4CC[O]5CC[N]7(CC[O]1CC8)CC[O]3CC[O]2CC9
Title of publication	High-spin carbonyl complexes of iron(I) and cobalt(I).
Authors of publication	Schneider, Christian; Guggolz, Lukas; Werncke, C. Gunnar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	179 - 184
a	12.5496 ± 0.0005 Å
b	13.9247 ± 0.0006 Å
c	15.1024 ± 0.0006 Å
α	111.711 ± 0.001°
β	92.932 ± 0.001°
γ	108.901 ± 0.001°
Cell volume	2275.4 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0877
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
272652 (current)	2022-02-04	cif/ Updating files of 7708970, 7708971, 7708972 Original log message: Adding full bibliography for 7708970--7708972.cif.	7708972.cif
270949	2021-12-01	cif/ Adding structures of 7708970, 7708971, 7708972 via cif-deposit CGI script.	7708972.cif