Crystallography Open Database

Information card for entry 7707019

Preview

Coordinates	7707019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Br0.72 Cl0.28 F2 Mn N4 O2
Calculated formula	C22 H26 Br0.722 Cl0.278 F2 Mn N4 O2
Title of publication	The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.
Authors of publication	Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	17
Pages of publication	5899 - 5910
a	8.0357 ± 0.0008 Å
b	16.0975 ± 0.0015 Å
c	17.7115 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2291.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	8
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
265999 (current)	2021-06-05	cif/ Updating files of 7707004, 7707005, 7707006, 7707007, 7707008, 7707009, 7707010, 7707011, 7707012, 7707013, 7707014, 7707015, 7707016, 7707017, 7707018, 7707019 Original log message: Adding full bibliography for 7707004--7707019.cif.	7707019.cif
263383	2021-03-27	cif/ Adding structures of 7707004, 7707005, 7707006, 7707007, 7707008, 7707009, 7707010, 7707011, 7707012, 7707013, 7707014, 7707015, 7707016, 7707017, 7707018, 7707019 via cif-deposit CGI script.	7707019.cif