Crystallography Open Database

Information card for entry 7032553

Preview

Coordinates	7032553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 B Cl2 N2 P
Calculated formula	C28 H36 B Cl2 N2 P
SMILES	[B]1([N](c2c(cccc2C(C)C)C(C)C)=P(c2ccccc2)(c2ccccc2)N1C(C)(C)C)(Cl)Cl
Title of publication	A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.
Authors of publication	Prashanth, Billa; Singh, Sanjay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	44
Pages of publication	16880 - 16888
a	9.991 ± 0.003 Å
b	15.962 ± 0.005 Å
c	17.013 ± 0.005 Å
α	90°
β	99.83 ± 0.012°
γ	90°
Cell volume	2673.3 ± 1.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032553.cif
126431	2014-11-06	cif/ Updating files of 7032550, 7032551, 7032552, 7032553, 7032554, 7032555, 7032556 Original log message: Adding full bibliography for 7032550--7032556.cif.	7032553.cif
123828	2014-09-16	cif/ Adding structures of 7032550, 7032551, 7032552, 7032553, 7032554, 7032555, 7032556 via cif-deposit CGI script.	7032553.cif