Crystallography Open Database

Information card for entry 7045136

Preview

Coordinates	7045136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Cl2 Mn N10 O2
Calculated formula	C50 H51 Cl2 Mn N10 O2
Title of publication	Temperature- and excitation wavelength-dependent emission in a manganese(ii) complex.
Authors of publication	Berezin, Alexey S.; Vinogradova, Katerina A.; Nadolinny, Vladimir A.; Sukhikh, Taisiya S.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Bushuev, Mark B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1657 - 1665
a	11.6451 ± 0.0003 Å
b	17.7149 ± 0.0005 Å
c	23.7054 ± 0.0007 Å
α	90°
β	101.509 ± 0.001°
γ	90°
Cell volume	4791.9 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1062
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
229455 (current)	2019-11-17	cif/ Updating files of 7045136, 7045137 Original log message: Adding full bibliography for 7045136--7045137.cif.	7045136.cif
204475	2017-12-22	cif/ Adding structures of 7045136, 7045137 via cif-deposit CGI script.	7045136.cif