Crystallography Open Database

Information card for entry 7045137

Preview

Coordinates	7045137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H52 Cl2 Mn N10 O
Calculated formula	C51 H52 Cl2 Mn N10 O
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	19.279 ± 0.004 Å
b	13.195 ± 0.004 Å
c	20.968 ± 0.007 Å
α	90°
β	115.383 ± 0.017°
γ	90°
Cell volume	4819 ± 2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	7045137.cif
204475	2017-12-22	cif/ Adding structures of 7045136, 7045137 via cif-deposit CGI script.	7045137.cif