Crystallography Open Database

Information card for entry 7021793

Preview

Coordinates	7021793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H80 Cl Mn2 N4 O12
Calculated formula	C58 H80 Cl Mn2 N4 O12
Title of publication	Titanium and manganese complexes supported by a xanthene-bridged bis(tripodal N2O2) ligand: isomerization, intramolecular hydrogen bonding and metal-binding ability.
Authors of publication	Hirotsu, Masakazu; Kawamoto, Keisuke; Tanaka, Rika; Nagai, Yuji; Ueno, Keiji; Teki, Yoshio; Kinoshita, Isamu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12220 - 12227
a	36.54 ± 0.007 Å
b	12.33 ± 0.003 Å
c	25.68 ± 0.006 Å
α	90°
β	92.29 ± 0.003°
γ	90°
Cell volume	11561 ± 4 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	0.0997
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7021793.cif
87690	2013-08-27	cif/ Adding structures of 7021793, 7021794 via cif-deposit CGI script.	7021793.cif