Crystallography Open Database

Information card for entry 7712165

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Coordinates	7712165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Ca N2 O4
Calculated formula	C16 H14 Ca N2 O4
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	10.6494 ± 0.0004 Å
b	20.781 ± 0.0006 Å
c	6.8745 ± 0.0002 Å
α	90°
β	105.118 ± 0.004°
γ	90°
Cell volume	1468.71 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0689
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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