Crystallography Open Database

Information card for entry 7218483

Preview

Coordinates	7218483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 N20 O17
Calculated formula	C50 H58 N20 O17
Title of publication	Biguanide and squaric acid as pH-dependent building blocks in crystal engineering
Authors of publication	Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	46
Pages of publication	10631
a	13.1608 ± 0.0014 Å
b	12.6922 ± 0.0014 Å
c	19.7008 ± 0.0018 Å
α	90°
β	120.795 ± 0.002°
γ	90°
Cell volume	2826.8 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
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	0.0993
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7218483.html