Crystallography Open Database

Information card for entry 4509208

Preview

Coordinates	4509208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 N9 O12
Calculated formula	C30 H24 N9 O12
Title of publication	Classical and Weak Hydrogen Bonding Interactions between 4,4′-Bipyridine and Organic Acids: From Co-Crystal to Organic Complex
Authors of publication	Nichol, Gary S.; Clegg, William
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1844
a	11.3 ± 0.001 Å
b	22.0984 ± 0.0019 Å
c	12.3302 ± 0.0011 Å
α	90°
β	109.571 ± 0.001°
γ	90°
Cell volume	2901.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
179628 (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 4/50/92.	4509208.cif
97165	2014-01-29	cif/ Adding structures of 4509206, 4509207, 4509208 via cif-deposit CGI script.	4509208.cif