Crystallography Open Database

Information card for entry 7027872

Preview

Coordinates	7027872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 N2 O9 Rb
Calculated formula	C31 H49 N2 O9 Rb
Title of publication	Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts
Authors of publication	Liddle, Stephen T.; Clegg, William; Morrison, Carole A.
Journal of publication	Dalton Transactions
Year of publication	2004
Journal issue	16
Pages of publication	2514 - 2525
a	36.589 ± 0.004 Å
b	11.3191 ± 0.0012 Å
c	26.225 ± 0.003 Å
α	90°
β	110.718 ± 0.002°
γ	90°
Cell volume	10158.8 ± 1.9 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179984 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/78.	7027872.cif
96444	2014-01-29	cif/ Adding structures of 7027866, 7027867, 7027868, 7027869, 7027870, 7027871, 7027872, 7027873, 7027874, 7027875 via cif-deposit CGI script.	7027872.cif