Crystallography Open Database

Information card for entry 7058309

Preview

Coordinates	7058309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 Mn2 N2 O10 S2
Calculated formula	C36 H22 Mn2 N2 O10 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	11.2873 ± 0.0005 Å
b	18.2654 ± 0.0009 Å
c	17.1259 ± 0.0006 Å
α	90°
β	98.723 ± 0.004°
γ	90°
Cell volume	3490 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
224835 (current)	2019-11-08	cif/ Updating files of 7058308, 7058309, 7058310 Original log message: Adding full bibliography for 7058308--7058310.cif.	7058309.cif
214684	2019-04-18	cif/ Adding structures of 7058308, 7058309, 7058310 via cif-deposit CGI script.	7058309.cif