Crystallography Open Database

Information card for entry 7212043

7212042 << 7212043 >> 7212044

Preview

Coordinates	7212043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 N7 O2 P
Calculated formula	C16 H20 N7 O2 P
SMILES	P1(Oc2ccncc2)(Oc2ccncc2)=NC(=NC(=N1)N(C)C)N(C)C
Title of publication	Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand
Authors of publication	Chandrasekhar, Vadapalli; Senapati, Tapas
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	682
a	7.3777 ± 0.0016 Å
b	10.187 ± 0.002 Å
c	12.57 ± 0.003 Å
α	86.803 ± 0.004°
β	81.176 ± 0.004°
γ	74.745 ± 0.004°
Cell volume	900.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0864
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212043.cif
92573	2014-01-12	cif/ Adding structures of 7212043, 7212044, 7212045 via cif-deposit CGI script.	7212043.cif