Crystallography Open Database

Information card for entry 7712181

Preview

Coordinates	7712181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H105 B Dy N5 O4 P2
Calculated formula	C83 H105 B Dy N5 O4 P2
Title of publication	Slow magnetic relaxation in a homoaxially phosphine oxide coordinated pentagonal bipyramidal Dy(III) complex.
Authors of publication	Kalita, Pankaj; Ahmed, Naushad; Moorthy, Shruti; Béreau, Virginie; Bar, Arun Kumar; Kumar, Pawan; Nayak, Prakash; Sutter, Jean-Pascal; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2804 - 2815
a	13.8161 ± 0.0002 Å
b	15.6888 ± 0.0002 Å
c	19.0034 ± 0.0003 Å
α	89.311 ± 0.001°
β	71.196 ± 0.001°
γ	89.017 ± 0.001°
Cell volume	3898.62 ± 0.1 Å³
Cell temperature	297.26 ± 0.1 K
Ambient diffraction temperature	297.26 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
283354 (current)	2023-05-05	cif/ Updating files of 7712181 Original log message: Adding full bibliography for 7712181.cif.	7712181.cif
280564	2023-01-25	cif/ Adding structures of 7712181 via cif-deposit CGI script.	7712181.cif