Crystallography Open Database

Information card for entry 8106136

Preview

Coordinates	8106136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H31 Ag N6 O3 P2
Calculated formula	C19 H31 Ag N6 O3 P2
SMILES	N12CN3C[P]([Ag]([P]45CN6CN(C5)CN(C4)C6)OC(=O)c4ccccc4)(CN(C1)C3)C2.O
Title of publication	Crystal structure of benzoato-κO-bis(1,3,5-triaza-7-phosphaadamantane-κP)silver(I) monohydrate C19H31AgN6O3P2
Authors of publication	Jacobs, Francois J.F.; Venter, Gertruida J.S.; Brink, Alice
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	311 - 313
a	16.5661 ± 0.0008 Å
b	6.1644 ± 0.0003 Å
c	23.8822 ± 0.001 Å
α	90°
β	114.553 ± 0.003°
γ	90°
Cell volume	2218.32 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0206
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
279356 (current)	2022-11-17	cif/ Adding structures of 8106136 via cif-deposit CGI script.	8106136.cif