Crystallography Open Database

Information card for entry 7026972

Preview

Coordinates	7026972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H44 Cl2 Mn N7 O5
Calculated formula	C53 H44 Cl2 Mn N7 O5
Title of publication	Synthesis, characterization and molecular structures of six-coordinate manganese nitrosyl porphyrinsElectronic supplementary information (ESI) available: Molecular structure of (TTP)Mn(NO)(1-MeIm). See http://www.rsc.org/suppdata/dt/b3/b308143p/
Authors of publication	Zahran, Zaki N.; Lee, Jonghyuk; Alguindigue, Susan S.; Khan, Masood A.; Richter-Addo, George B.
Journal of publication	Dalton Transactions
Year of publication	2004
Journal issue	1
Pages of publication	44 - 50
a	12.1992 ± 0.0016 Å
b	12.7458 ± 0.0017 Å
c	15.151 ± 0.002 Å
α	90.136 ± 0.002°
β	90.287 ± 0.002°
γ	99.228 ± 0.002°
Cell volume	2325.3 ± 0.5 Å³
Cell temperature	178 ± 2 K
Ambient diffraction temperature	178 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1437
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179975 (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 7/02/69.	7026972.cif
94334	2014-01-23	cif/ Adding structures of 7026970, 7026971, 7026972 via cif-deposit CGI script.	7026972.cif