Crystallography Open Database

Information card for entry 7246915

Preview

Coordinates	7246915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 N12 O14 P4
Calculated formula	C30 H48 N12 O14 P4
Title of publication	Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system
Authors of publication	Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	26
Pages of publication	3826 - 3836
a	12.0257 ± 0.0013 Å
b	14.6592 ± 0.0014 Å
c	12.1537 ± 0.0011 Å
α	90°
β	106.49 ± 0.02°
γ	90°
Cell volume	2054.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286113 (current)	2023-09-05	cif/ Updating files of 7246911, 7246912, 7246913, 7246914, 7246915, 7246916 Original log message: Adding full bibliography for 7246911--7246916.cif.	7246915.cif
284591	2023-06-29	cif/ Adding structures of 7246911, 7246912, 7246913, 7246914, 7246915, 7246916 via cif-deposit CGI script.	7246915.cif