Crystallography Open Database

Information card for entry 7712166

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Coordinates	7712166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Ca N2 O8 P2
Calculated formula	C28 H44 Ca N2 O8 P2
Title of publication	A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.
Authors of publication	Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	8
Pages of publication	2412 - 2423
a	9.4853 ± 0.0003 Å
b	11.0551 ± 0.0003 Å
c	30.9403 ± 0.0012 Å
α	90°
β	96.05 ± 0.003°
γ	90°
Cell volume	3226.36 ± 0.18 Å³
Cell temperature	233.15 K
Ambient diffraction temperature	233.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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