Crystallography Open Database

Information card for entry 1572001

1572000 << 1572001 >> 1572002

Preview

Coordinates	1572001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H266 N60 O80 Pd8
Calculated formula	C156 H202 N44 Pd8
Title of publication	Formation of a low-symmetry Pd<sub>8</sub> molecular barrel employing a hetero donor tetradentate ligand, and its use in the binding and extraction of C<sub>70</sub>.
Authors of publication	Prajapati, Dharmraj; Clegg, Jack K.; Mukherjee, Partha Sarathi
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	31
Pages of publication	12502 - 12510
a	21.8333 ± 0.0004 Å
b	21.8629 ± 0.0003 Å
c	30.2029 ± 0.0006 Å
α	87.8618 ± 0.0014°
β	77.0258 ± 0.0015°
γ	82.1629 ± 0.0014°
Cell volume	13917.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1302
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2843
Weighted residual factors for all reflections included in the refinement	0.3153
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
294483 (current)	2024-09-06	cif/ Updating files of 1572001 Original log message: Adding full bibliography for 1572001.cif.	1572001.cif
292625	2024-06-28	cif/ Adding structures of 1572001 via cif-deposit CGI script.	1572001.cif