Crystallography Open Database

Information card for entry 7024269

Preview

Coordinates	7024269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H76 Mn4 N8 O20
Calculated formula	C72 H62 Mn4 N8 O20
Title of publication	Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode?
Authors of publication	Martínez, David; Motevalli, Majid; Watkinson, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	446 - 455
a	9.8025 ± 0.0002 Å
b	13.2412 ± 0.0003 Å
c	13.5735 ± 0.0003 Å
α	100.17 ± 0.001°
β	94.652 ± 0.001°
γ	102.214 ± 0.001°
Cell volume	1681.97 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024269.cif
92325	2014-01-12	cif/ Adding structures of 7024265, 7024266, 7024267, 7024268, 7024269 via cif-deposit CGI script.	7024269.cif