Crystallography Open Database

Information card for entry 4500316

Preview

Coordinates	4500316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Cl2 Mn N14 O4 P2
Calculated formula	C32 H40 Cl2 Mn N14 O4 P2
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	17.251 ± 0.005 Å
b	20.112 ± 0.005 Å
c	11.419 ± 0.005 Å
α	90 ± 0.005°
β	97.786 ± 0.005°
γ	90 ± 0.005°
Cell volume	3925 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179534 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03.	4500316.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500316.cif
34443	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500312, 4500313, 4500314, 4500315, 4500316, 4500317 via cif-deposit CGI script.	4500316.cif