Crystallography Open Database

Information card for entry 7049126

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Structure parameters

Formula	C18 H26 Br N2 P
Calculated formula	C18 H26 Br N2 P
Title of publication	Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.
Authors of publication	Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7331 - 7336
a	14.966 ± 0.006 Å
b	13.906 ± 0.006 Å
c	9.583 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1994.4 ± 1.4 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7049126.cif
224445	2019-11-08	cif/ Updating files of 7049122, 7049123, 7049124, 7049125, 7049126, 7049127, 7049128, 7049129 Original log message: Adding full bibliography for 7049122--7049129.cif.	7049126.cif
213802	2019-02-23	cif/ Adding structures of 7049122, 7049123, 7049124, 7049125, 7049126, 7049127, 7049128, 7049129 via cif-deposit CGI script.	7049126.cif