Crystallography Open Database

Information card for entry 7021794

Preview

Coordinates	7021794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H73 Cl Mn3 N4 O12.5
Calculated formula	C58 H70 Mn3 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	28.354 ± 0.012 Å
b	28.354 ± 0.012 Å
c	14.616 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	10176 ± 7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1924
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.208
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021794.cif
87690	2013-08-27	cif/ Adding structures of 7021793, 7021794 via cif-deposit CGI script.	7021794.cif