Crystallography Open Database

Information card for entry 7026970

Preview

Coordinates	7026970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.9 H43.33 Cl0.27 Mn N5 O2.77
Calculated formula	C49.9 H43.3333 Cl0.266667 Mn N5 O2.76667
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	11.317 ± 0.0006 Å
b	12.3768 ± 0.0007 Å
c	23.0336 ± 0.0012 Å
α	97.911 ± 0.001°
β	102.926 ± 0.001°
γ	97.058 ± 0.001°
Cell volume	3074.9 ± 0.3 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 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	0.0685
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
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.	7026970.cif
94334	2014-01-23	cif/ Adding structures of 7026970, 7026971, 7026972 via cif-deposit CGI script.	7026970.cif