Crystallography Open Database

Information card for entry 7063812

Preview

Coordinates	7063812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Cl4 N5 O P3
Calculated formula	C9 H6 Cl4 N5 O P3
Title of publication	Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties
Authors of publication	Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	23
Pages of publication	9583 - 9599
a	11.379 ± 0.0012 Å
b	9.6235 ± 0.001 Å
c	15.5768 ± 0.0016 Å
α	90°
β	111.18 ± 0.002°
γ	90°
Cell volume	1590.5 ± 0.3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
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	0.0501
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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