Crystallography Open Database

Information card for entry 8104711

Preview

Coordinates	8104711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 N10 O8
Calculated formula	C31 H46 N10 O8
Title of publication	Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO
Authors of publication	Xiong, Ying; An, Ya
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	785 - 787
a	8.8207 ± 0.0006 Å
b	9.7818 ± 0.0008 Å
c	20.9498 ± 0.0017 Å
α	90°
β	97.259 ± 0.003°
γ	90°
Cell volume	1793.1 ± 0.2 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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