Crystallography Open Database

Information card for entry 7026971

Preview

Coordinates	7026971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.28 H42.56 Cl0.56 Mn N7 O
Calculated formula	C52.28 H42.56 Cl0.56 Mn N7 O
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	14.9067 ± 0.0008 Å
b	15.0365 ± 0.0008 Å
c	15.8656 ± 0.0009 Å
α	104.709 ± 0.001°
β	90.832 ± 0.001°
γ	97.34 ± 0.001°
Cell volume	3407.4 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0811
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2205
Weighted residual factors for all reflections included in the refinement	0.222
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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.	7026971.cif
94334	2014-01-23	cif/ Adding structures of 7026970, 7026971, 7026972 via cif-deposit CGI script.	7026971.cif