Crystallography Open Database

Information card for entry 4312078

4312077 << 4312078 >> 4312079

Preview

Coordinates	4312078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H22 Br3 Cl N3 P3
Calculated formula	C21.5 H22 Br3 Cl N3 P3
Title of publication	Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups
Authors of publication	June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7784 - 7791
a	16.4817 ± 0.0009 Å
b	15.4102 ± 0.0009 Å
c	20.998 ± 0.0013 Å
α	90°
β	96.699 ± 0.005°
γ	90°
Cell volume	5296.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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