Crystallography Open Database

Information card for entry 4500314

Preview

Coordinates	4500314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cd Cl3 N11 O8 P
Calculated formula	C27 H31 Cd Cl3 N11 O8 P
Title of publication	Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]
Authors of publication	Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1512
a	9.413 ± 0.005 Å
b	14.99 ± 0.005 Å
c	15.112 ± 0.005 Å
α	116.842 ± 0.005°
β	97.929 ± 0.005°
γ	94.084 ± 0.005°
Cell volume	1862.8 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2091
Weighted residual factors for all reflections included in the refinement	0.2309
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500314.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500314.cif
34443	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500312, 4500313, 4500314, 4500315, 4500316, 4500317 via cif-deposit CGI script.	4500314.cif