Crystallography Open Database

Information card for entry 7058308

Preview

Coordinates	7058308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 Mn2 N2 O6 S2
Calculated formula	C31 H24 Mn2 N2 O6 S2
Title of publication	Self-assembly of manganese(i) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies
Authors of publication	Kumar, Udit; Jose, Shilpa; Divya, Dhanaraj; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	19
Pages of publication	7520
a	25.367 ± 0.0011 Å
b	9.2268 ± 0.0003 Å
c	12.8639 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3010.9 ± 0.2 Å³
Cell temperature	199.95 ± 0.1 K
Ambient diffraction temperature	199.95 ± 0.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.0313
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
224835 (current)	2019-11-08	cif/ Updating files of 7058308, 7058309, 7058310 Original log message: Adding full bibliography for 7058308--7058310.cif.	7058308.cif
214684	2019-04-18	cif/ Adding structures of 7058308, 7058309, 7058310 via cif-deposit CGI script.	7058308.cif