Crystallography Open Database

Information card for entry 1577497

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 O12 P4
Calculated formula	C32 H46 O12 P4
Title of publication	Two calcium pyrene phosphonate frameworks with contrasting dimensionality and porosity.
Authors of publication	Salcedo-Abraira, Pablo; Serrano-Nieto, Rubén; Carrasco, Sergio; Biglione, Catalina; Imaz, Inhar; Devic, Thomas; Maspoch, Daniel; Horcajada, Patricia
Journal of publication	IUCrJ
Year of publication	2026
Journal volume	13
Journal issue	6
a	10.0133 ± 0.0004 Å
b	10.1039 ± 0.0004 Å
c	10.9607 ± 0.0004 Å
α	66.725 ± 0.001°
β	74.407 ± 0.001°
γ	89.869 ± 0.002°
Cell volume	974.4 ± 0.07 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
307031 (current)	2026-11-06	cif/ Adding structures of 1577497, 1577498, 1577499 via cif-deposit CGI script.	1577497.cif