Crystallography Open Database

Information card for entry 4303508

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Coordinates	4303508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H94 Cl2 O14 P2 Te4
Calculated formula	C78 H80 Cl2 O14 P2 Te4
Title of publication	Halide-Capped Tellurium-Containing Macrocycles
Authors of publication	Vadapalli Chandrasekhar; Ramalingam Thirumoorthi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10330 - 10337
a	11.7246 ± 0.0009 Å
b	13.5217 ± 0.001 Å
c	14.5973 ± 0.0011 Å
α	67.354 ± 0.001°
β	66.743 ± 0.001°
γ	84.064 ± 0.001°
Cell volume	1959 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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