Crystallography Open Database

Information card for entry 7712167

Preview

Coordinates	7712167.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	9.4986 ± 0.0003 Å
b	11.0652 ± 0.0003 Å
c	30.9438 ± 0.0013 Å
α	90°
β	95.932 ± 0.004°
γ	90°
Cell volume	3234.9 ± 0.19 Å³
Cell temperature	203.15 K
Ambient diffraction temperature	203.15 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	0.0731
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1433
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

Version history

Revision	Date	Message	Files
283244 (current)	2023-05-05	cif/ Updating files of 7712164, 7712165, 7712166, 7712167 Original log message: Adding full bibliography for 7712164--7712167.cif.	7712167.cif
280447	2023-01-20	cif/ Adding structures of 7712164, 7712165, 7712166, 7712167 via cif-deposit CGI script.	7712167.cif