Crystallography Open Database

Information card for entry 7715493

Preview

Coordinates	7715493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H108 Ba N3 O5 P
Calculated formula	C74 H100 Ba N3 O4 P
Title of publication	Barium phosphidoboranes and related calcium complexes.
Authors of publication	Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	6892 - 6905
a	13.7946 ± 0.0018 Å
b	14.2052 ± 0.0016 Å
c	20.139 ± 0.002 Å
α	75.42 ± 0.004°
β	78.239 ± 0.005°
γ	70.451 ± 0.004°
Cell volume	3568 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1529
Residual factor for significantly intense reflections	0.1224
Weighted residual factors for significantly intense reflections	0.2756
Weighted residual factors for all reflections included in the refinement	0.2917
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
291630 (current)	2024-05-05	cif/ Updating files of 7715491, 7715492, 7715493, 7715494 Original log message: Adding full bibliography for 7715491--7715494.cif.	7715493.cif
290590	2024-03-22	cif/ Adding structures of 7715491, 7715492, 7715493, 7715494 via cif-deposit CGI script.	7715493.cif