Crystallography Open Database

Information card for entry 1577498

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

Structure parameters

Formula	C16 H24 Ca2 O19 P4
Calculated formula	C16 H24 Ca2 O19 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	8.4993 ± 0.0003 Å
b	12.5656 ± 0.0009 Å
c	12.5832 ± 0.0013 Å
α	103.252 ± 0.007°
β	98.7 ± 0.005°
γ	97.446 ± 0.004°
Cell volume	1274.05 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1757
Residual factor for significantly intense reflections	0.1205
Weighted residual factors for significantly intense reflections	0.3061
Weighted residual factors for all reflections included in the refinement	0.3234
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.82656 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	1577498.cif