Crystallography Open Database

Information card for entry 7241015

Preview

Coordinates	7241015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H76 Co N2 O6 S2 Si2
Calculated formula	C34 H76 Co N2 O6 S2 Si2
SMILES	C(C)(C)(C)O[Si](OC(C)(C)C)(OC(C)(C)C)S[Co]([NH]1CCCCC1)([NH]1CCCCC1)S[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Title of publication	Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism
Authors of publication	Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	49
Pages of publication	29100 - 29108
a	33.4655 ± 0.0011 Å
b	10.0373 ± 0.0002 Å
c	27.9753 ± 0.0008 Å
α	90°
β	107.496 ± 0.003°
γ	90°
Cell volume	8962.3 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
258124 (current)	2020-10-06	cif/ Updating files of 7241013, 7241014, 7241015 Original log message: Adding full bibliography for 7241013--7241015.cif.	7241015.cif
255172	2020-08-07	cif/ Adding structures of 7241013, 7241014, 7241015 via cif-deposit CGI script.	7241015.cif