Crystallography Open Database

Information card for entry 7719328

7719327 << 7719328 >> 7719329

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Coordinates	7719328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H54 B4 F16 N12 Pd2
Calculated formula	C69 H54 B4 F16 N12 Pd2
Title of publication	Multi-dimensional microenvironment engineering in heteroleptic coordination cages for programmable biomimetic recognition.
Authors of publication	Xie, Xiao-Dan; Bai, Qixia; Zhang, Zhe; Wang, Pingshan; Zhang, Qi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	36
Pages of publication	13783 - 13788
a	11.9137 ± 0.0002 Å
b	18.7121 ± 0.0003 Å
c	19.423 ± 0.0003 Å
α	95.922 ± 0.001°
β	93.49 ± 0.001°
γ	98.603 ± 0.001°
Cell volume	4245.57 ± 0.12 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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