Crystallography Open Database

Information card for entry 1519472

1519471 << 1519472 >> 1519473

Preview

Coordinates	1519472.cif

Structure parameters

Formula	C29 H38 I2 O11 P Zn
Calculated formula	C29 H38 I2 O11 P Zn
SMILES	c1(c(cc(cc1OC)OC)OC)P(c1c(cc(cc1OC)OC)OC)(c1c(cc(cc1OC)OC)OC)=[O][Zn]([OH]CC)(I)I
Title of publication	C29H38I2O11PZn
Authors of publication	Bell, Norman A.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	883
a	11.7172 ± 0.0002 Å
b	12.5417 ± 0.0002 Å
c	13.7674 ± 0.0002 Å
α	69.775 ± 0.0006°
β	69.746 ± 0.0006°
γ	70.608 ± 0.0007°
Cell volume	1728.45 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519472.cif
136028	2015-05-11	cif/ Adding structures of 1519472 via cif-deposit CGI script.	1519472.cif