Crystallography Open Database

Information card for entry 7062077

7062076 << 7062077 >> 7062078

Preview

Coordinates	7062077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Br4 Mn P2
Calculated formula	C38 H36 Br4 Mn P2
SMILES	Br[Mn](Br)([Br-])[Br-].[P+](c1ccccc1)(c1ccccc1)(C)c1ccccc1.[P+](c1ccccc1)(C)(c1ccccc1)c1ccccc1
Title of publication	Development and mechanism of a fluorescent probe for a Mn(ii) ionic complex capable of recognizing chloroform vapor molecules
Authors of publication	Wu, Yu-Li; Hou, Guo-Liang; Cui, Hai-Xia; Chen, Lei; Zhou, Hui-Di; Chen, Jian-Min
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	47
Pages of publication	22509 - 22512
a	9.7773 ± 0.0012 Å
b	12.516 ± 0.0014 Å
c	16.6131 ± 0.0019 Å
α	90°
β	105.096 ± 0.002°
γ	90°
Cell volume	1962.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
280200 (current)	2023-01-06	cif/ Updating files of 7062077, 7062078 Original log message: Adding full bibliography for 7062077--7062078.cif.	7062077.cif
279371	2022-11-18	cif/ Adding structures of 7062077, 7062078 via cif-deposit CGI script.	7062077.cif