Crystallography Open Database

Information card for entry 7048379

Preview

Coordinates	7048379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 B3 F12 N7 Pd1.5
Calculated formula	C20 H31 B3 F12 N7 Pd1.5
Title of publication	Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.
Authors of publication	Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	3
Pages of publication	818 - 822
a	11.6086 ± 0.0001 Å
b	21.3061 ± 0.0002 Å
c	12.4395 ± 0.0001 Å
α	90°
β	102.909 ± 0.001°
γ	90°
Cell volume	2998.95 ± 0.05 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224578 (current)	2019-11-08	cif/ Updating files of 7048378, 7048379, 7048380, 7048381 Original log message: Adding full bibliography for 7048378--7048381.cif.	7048379.cif
212644	2018-12-19	cif/ Adding structures of 7048378, 7048379, 7048380, 7048381 via cif-deposit CGI script.	7048379.cif