Crystallography Open Database

Information card for entry 7048381

Preview

Coordinates	7048381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H89.15 B4 F16 N16 O2.57 Pd2
Calculated formula	C56 H89.148 B4 F16 N16 O2.574 Pd2
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	12.9729 ± 0.0003 Å
b	14.3355 ± 0.0003 Å
c	37.3886 ± 0.0007 Å
α	90°
β	91.94 ± 0.002°
γ	90°
Cell volume	6949.3 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.0576
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
224578 (current)	2019-11-08	cif/ Updating files of 7048378, 7048379, 7048380, 7048381 Original log message: Adding full bibliography for 7048378--7048381.cif.	7048381.cif
212644	2018-12-19	cif/ Adding structures of 7048378, 7048379, 7048380, 7048381 via cif-deposit CGI script.	7048381.cif