Crystallography Open Database

Information card for entry 4306782

Preview

Coordinates	4306782.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	In(OEPO)(py)2
Formula	C46 H53 In N6 O
Calculated formula	C46 H53 In N6 O
Title of publication	Cleavage of the Indium(III) Octaethyloxophlorin Dimer, {InIII(OEPO)}2, with Lewis Bases. Importance of Outer-Sphere Hydrogen Bonding in Adduct Structures
Authors of publication	Thelma Y. Garcia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11417 - 11422
a	9.8499 ± 0.0007 Å
b	10.3078 ± 0.0007 Å
c	10.4743 ± 0.0007 Å
α	80.364 ± 0.002°
β	89.692 ± 0.001°
γ	65.946 ± 0.001°
Cell volume	955.08 ± 0.11 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0519
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179105 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67.	4306782.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306782.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306782.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306782.cif