Crystallography Open Database

Information card for entry 7118064

Preview

Coordinates	7118064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99.5 H133 B Cl2 N4 O3 Si U
Calculated formula	C99.5 H133 B Cl2 N4 O3 Si U
Title of publication	Charge control of the inverse trans-influence
Authors of publication	Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	16671
a	16.1844 ± 0.0007 Å
b	17.476 ± 0.003 Å
c	19.116 ± 0.003 Å
α	94.215 ± 0.013°
β	95.92 ± 0.006°
γ	111.501 ± 0.005°
Cell volume	4967.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7118064.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7118064.cif
170362	2015-11-17	cif/ Adding structures of 7118064, 7118065, 7118066 via cif-deposit CGI script.	7118064.cif