Crystallography Open Database

Information card for entry 7225069

Preview

Coordinates	7225069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H64 N2 O12 P4
Calculated formula	C34 H64 N2 O12 P4
Title of publication	A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids
Authors of publication	van Megen, M.; Frank, W.; Reiss, G. J.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	3574
a	9.1869 ± 0.0018 Å
b	9.2725 ± 0.0019 Å
c	24.348 ± 0.005 Å
α	83.68 ± 0.03°
β	81.01 ± 0.03°
γ	81.4 ± 0.03°
Cell volume	2017.6 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7225069.html