Crystallography Open Database

Information card for entry 7111597

Preview

Coordinates	7111597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H38 F10 N4 Ru2
Calculated formula	C61.98 H38 F10 N4 Ru2
Title of publication	Calix[n]metallocenyl[m]phyrins (n = 1, 2 and m = 2, 4): aryl vs. alkyl
Authors of publication	Ramakrishnan, S.; Anju, K. S.; Thomas, Ajesh P.; Suresh, E.; Srinivasan, A.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4746 - 4748
a	11.2539 ± 0.001 Å
b	11.5076 ± 0.001 Å
c	12.2368 ± 0.0011 Å
α	117.326 ± 0.001°
β	99.143 ± 0.001°
γ	107.693 ± 0.001°
Cell volume	1255.16 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1162
Residual factor for significantly intense reflections	0.1092
Weighted residual factors for significantly intense reflections	0.2284
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
180229 (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 7/11/15.	7111597.cif
96692	2014-01-29	cif/ Adding structures of 7111593, 7111594, 7111595, 7111596, 7111597 via cif-deposit CGI script.	7111597.cif