Crystallography Open Database

Information card for entry 7704860

Preview

Coordinates	7704860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Cl Dy N2 O18 Zn2
Calculated formula	C38 H40 Cl1.001 Dy N2 O18.004 Zn2
Title of publication	Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.
Authors of publication	Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	30
Pages of publication	10580 - 10593
a	15.7454 ± 0.0004 Å
b	27.4209 ± 0.0007 Å
c	20.2012 ± 0.0005 Å
α	90°
β	99.431 ± 0.002°
γ	90°
Cell volume	8604 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
257520 (current)	2020-10-06	cif/ Updating files of 7704858, 7704859, 7704860, 7704861 Original log message: Adding full bibliography for 7704858--7704861.cif.	7704860.cif
255001	2020-08-06	cif/ Updating files of 7704858, 7704859, 7704860, 7704861 Original log message: Adding full bibliography for 7704858--7704861.cif.	7704860.cif
254372	2020-07-17	cif/ Adding structures of 7704858, 7704859, 7704860, 7704861 via cif-deposit CGI script.	7704860.cif