Crystallography Open Database

Information card for entry 7242167

Preview

Coordinates	7242167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H45 Co N5 O4 P2 S4
Calculated formula	C31 H45 Co N5 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	8.632 ± 0.007 Å
b	19.326 ± 0.019 Å
c	12.434 ± 0.008 Å
α	90°
β	97.75 ± 0.03°
γ	90°
Cell volume	2055 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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.	7242167.cif
261247	2021-01-27	cif/ Adding structures of 7242167, 7242168, 7242169, 7242170 via cif-deposit CGI script.	7242167.cif