Crystallography Open Database

Information card for entry 7242170

Preview

Coordinates	7242170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 Co N6 O4 P2 S4
Calculated formula	C30 H44 Co N6 O4 P2 S4
Title of publication	Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas
Authors of publication	Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	10
Pages of publication	2081 - 2090
a	12.6723 ± 0.0006 Å
b	19.8452 ± 0.0009 Å
c	7.445 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1872.3 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263719 (current)	2021-04-05	cif/ Updating files of 7242167, 7242168, 7242169, 7242170 Original log message: Adding full bibliography for 7242167--7242170.cif.	7242170.cif
261247	2021-01-27	cif/ Adding structures of 7242167, 7242168, 7242169, 7242170 via cif-deposit CGI script.	7242170.cif