Crystallography Open Database

Information card for entry 7116174

Preview

Coordinates	7116174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C316.5 H366 N93 O111 Pd12
Calculated formula	C316.5 H366 N93 O111 Pd12
Title of publication	A self-assembled, π-stacked complex as a finely-tunable magnetic aligner for biomolecular NMR applications.
Authors of publication	Sato, Sota; Takeuchi, Ryosuke; Yagi-Utsumi, Maho; Yamaguchi, Takumi; Yamaguchi, Yoshiki; Kato, Koichi; Fujita, Makoto
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	13
Pages of publication	2540 - 2543
a	23.379 ± 0.003 Å
b	27.15 ± 0.003 Å
c	43.649 ± 0.005 Å
α	107.717 ± 0.001°
β	92.383 ± 0.002°
γ	103.95 ± 0.002°
Cell volume	25415 ± 5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.2795
Residual factor for significantly intense reflections	0.1695
Weighted residual factors for significantly intense reflections	0.4435
Weighted residual factors for all reflections included in the refinement	0.4931
Goodness-of-fit parameter for all reflections included in the refinement	1.502
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116174.cif
130908	2015-02-04	cif/ Updating files of 7116174 Original log message: Adding full bibliography for 7116174.cif.	7116174.cif
129280	2015-01-01	cif/ Adding structures of 7116174 via cif-deposit CGI script.	7116174.cif