Crystallography Open Database

Information card for entry 7048380

Preview

Coordinates	7048380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.31 H35.62 B2 Cl2.31 F8 N6 O0.35 Pd
Calculated formula	C22.31 H35.62 B2 Cl2.308 F8 N6 O0.346 Pd
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	25.6757 ± 0.0006 Å
b	21.3064 ± 0.0006 Å
c	11.7797 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6444.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	7048380.cif
212644	2018-12-19	cif/ Adding structures of 7048378, 7048379, 7048380, 7048381 via cif-deposit CGI script.	7048380.cif