Crystallography Open Database

Information card for entry 4119175

4119174 << 4119175 >> 4119176

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Coordinates	4119175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 Co N14 O4
Calculated formula	C17 H25 Co N14 O4
Title of publication	Thermodynamics of Anion-π Interactions in Aqueous Solution
Authors of publication	Paloma Arranz-Mascarós; Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; María-Luz Godino-Salido; María-Dolores Gutiérrez-Valero; Rafael López-Garzón; Matteo Savastano
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	102 - 105
a	9.9543 ± 0.0007 Å
b	10.1425 ± 0.0008 Å
c	14.0212 ± 0.001 Å
α	71.42 ± 0.007°
β	86.557 ± 0.006°
γ	68.858 ± 0.007°
Cell volume	1249.09 ± 0.18 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0884
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178962 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91.	4119175.cif
103245	2014-02-27	cif/ Adding structures of 4119175 via cif-deposit CGI script.	4119175.cif