Crystallography Open Database

Information card for entry 4337085

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Structure parameters

Formula	C21 H23 F12 Mn N3 O7
Calculated formula	C21 H23 F12 Mn N3 O7
Title of publication	Preparation and Magnetic Properties of Metal-Complexes from N-t-Butyl-N-oxidanyl-2-amino-(nitronyl nitroxide).
Authors of publication	Furui, Takanori; Suzuki, Shuichi; Kozaki, Masatoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Okada, Keiji; Tretyakov, Evgeny V.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Ovcharenko, Victor I.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	802 - 809
a	25.196 ± 0.0013 Å
b	8.5524 ± 0.0004 Å
c	27.5246 ± 0.0016 Å
α	90°
β	90.202 ± 0.003°
γ	90°
Cell volume	5931.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0755
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4337085.cif
179473	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337085.cif
106150	2014-03-15	cif/ Adding structures of 4337085 via cif-deposit CGI script.	4337085.cif