Crystallography Open Database

Information card for entry 7111495

Preview

Coordinates	7111495.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato) (bispiperidine)molybdenum(ii)
Chemical name	(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato) (bispiperidine)molybdenum(II)
Formula	C61 H58 Mo N6
Calculated formula	C61 H57 Mo N6
Title of publication	The synthesis of isostructural Mo2+ porphyrin and N-confused porphyrin complexes
Authors of publication	Harvey, John D.; Shaw, Janet L.; Herrick, Richard S.; Ziegler, Christopher J.
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	37
Pages of publication	4663 - 4665
a	9.8887 ± 0.0018 Å
b	11.63 ± 0.002 Å
c	11.91 ± 0.002 Å
α	112.359 ± 0.003°
β	94.035 ± 0.003°
γ	103.615 ± 0.003°
Cell volume	1211.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180228 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/14.	7111495.cif
96544	2014-01-29	cif/ Adding structures of 7111495, 7111496 via cif-deposit CGI script.	7111495.cif