Crystallography Open Database

Information card for entry 7218497

Preview

Coordinates	7218497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H124 N6 O18 P6 Sn4
Calculated formula	C86 H124 N6 O18 P6 Sn4
SMILES	c12c(c3ccccc3OP3(=NP(=NP4(=N3)Oc3ccccc3c3ccccc3O4)(OC)O[Sn]3([O]4[Sn]([O]5[Sn](OP6(=NP7(=NP8(=N6)Oc6ccccc6c6ccccc6O8)Oc6c(c8c(cccc8)O7)cccc6)OC)([O](C)[Sn]45(CCCC)CCCC)(CCCC)CCCC)([O]3C)(CCCC)CCCC)(CCCC)CCCC)O1)cccc2.OC.OC
Title of publication	Cyclophosphazene-Organostannoxane Hybrid Motifs in Polymeric and Molecular Systems
Authors of publication	Chandrasekhar, Vadapalli; Kundu, Subrata; Mohapatra, Chandrajeet
Journal of publication	RSC Adv.
Year of publication	2014
a	18.805 ± 0.005 Å
b	12.506 ± 0.005 Å
c	21.511 ± 0.005 Å
α	90 ± 0.005°
β	110.835 ± 0.005°
γ	90 ± 0.005°
Cell volume	4728 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1185
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1586
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
180515 (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 7/21/84.	7218497.cif
125353	2014-10-15	cif/ Adding structures of 7218496, 7218497 via cif-deposit CGI script.	7218497.cif